Uniqueness and basis set dependence of iterative Hirshfeld charges

By Patrick Bultinck, P. Ayers, S. Fias, K. Tiels, C. Alsenoy. 2007

134 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/ab2b3d7513a53632e49635851040a5519bdf966e